2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone

C15H24ClN3O — CID 106982279

IUPAC2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
SMILESCCc1nn(C)c(CC(=O)C2(C(C)C)CCNC2)c1Cl
InChIInChI=1S/C15H24ClN3O/c1-5-11-14(16)12(19(4)18-11)8-13(20)15(10(2)3)6-7-17-9-15/h10,17H,5-9H2,1-4H3
InChIKeyZMJIUFPFVNGGMO-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.38
Rot. Bonds5

About 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone (PubChem CID 106982279) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
PubChem CID106982279
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
SMILESCCc1nn(C)c(CC(=O)C2(C(C)C)CCNC2)c1Cl
InChIInChI=1S/C15H24ClN3O/c1-5-11-14(16)12(19(4)18-11)8-13(20)15(10(2)3)6-7-17-9-15/h10,17H,5-9H2,1-4H3
InChIKeyZMJIUFPFVNGGMO-UHFFFAOYSA-N
XLogP2.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976815
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748381
[3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 66058600
1-(azetidin-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116583884
2-(2,5-dichlorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982262
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-cyclopropylbutan-2-one
CID 114980481
[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 66026319
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-4-(methylamino)butan-2-one
CID 116587031
2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982126
7-amino-1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methyloctan-2-one
CID 116574379
2-(4-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982093
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone (CID 106982279) is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone is CCc1nn(C)c(CC(=O)C2(C(C)C)CCNC2)c1Cl.
What is the InChIKey of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
The InChIKey is ZMJIUFPFVNGGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-5-11-14(16)12(19(4)18-11)8-13(20)15(10(2)3)6-7-17-9-15/h10,17H,5-9H2,1-4H3.
What are the key properties of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone has a molecular weight of 297.83 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 106982279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).